CID 39870590

1-(3-aminophenyl)-3-cyclopropyl-4,5-dihydroxy-2,3-dihydro-1h-imidazol-2-one

Structural Information

Molecular Formula
C12H13N3O3
SMILES
C1CC1N2C(=C(N(C2=O)C3=CC=CC(=C3)N)O)O
InChI
InChI=1S/C12H13N3O3/c13-7-2-1-3-9(6-7)15-11(17)10(16)14(12(15)18)8-4-5-8/h1-3,6,8,16-17H,4-5,13H2
InChIKey
LETUTZOWEYKIPP-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)-3-cyclopropyl-4,5-dihydroxyimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

247.09569 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10297 153.2
[M+Na]+ 270.08491 165.3
[M-H]- 246.08841 159.6
[M+NH4]+ 265.12951 163.8
[M+K]+ 286.05885 158.6
[M+H-H2O]+ 230.09295 146.2
[M+HCOO]- 292.09389 175.0
[M+CH3COO]- 306.10954 193.8
[M+Na-2H]- 268.07036 155.2
[M]+ 247.09514 154.9
[M]- 247.09624 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe